SCHEMBL7444455

SCHEMBL7444455

CCCN=C(N)NCCC[C@H](N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 7/20 0.68
NOS1 P29475 8/20 0.54
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
NOS2 P35228 8/20 0.51
NOS3 P29474 5/20 0.51
CYP2C19 P33261 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
GLA P06280 1/20 0.50
NFKB1 P19838 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29381881 1.00 DDAH1 (0.68) DDAH1NOS1GRIN2DGRIN3BGRIN1
SCHEMBL5306351 0.91 DDAH1 (0.56) DDAH1NOS1GRIN2DGRIN3BGRIN1
SCHEMBL1344676 0.91 DDAH1 (0.56) DDAH1NOS1GRIN2DGRIN3BGRIN1
SCHEMBL1343418 0.82 DDAH1 (0.54) DDAH1NOS1GRIN2DGRIN3BGRIN1
Tilarginine SCHEMBL349879 0.81 DDAH1 (0.58) DDAH1NOS1NOS2NOS3CYP2C19
Tilarginine SCHEMBL10198569 0.81 DDAH1 (0.58) DDAH1NOS1NOS2NOS3CYP2C19
Tilarginine SCHEMBL1736031 0.81 DDAH1 (0.58) DDAH1NOS1NOS2NOS3CYP2C19
Tilarginine SCHEMBL7450191 0.81 DDAH1 (0.58) DDAH1NOS1NOS2NOS3CYP2C19
Tilarginine SCHEMBL31106009 0.80 DDAH1 (0.57) DDAH1NOS1NOS2NOS3CYP2C19
Tilarginine SCHEMBL29711436 0.80 DDAH1 (0.57) DDAH1NOS1NOS2NOS3CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018230-A1 METHODS FOR TREATING OR MODULATING AN INFLAMMATORY RESPONSE ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2024-01-18 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
EP-0669824-A1 USE OF CARDIOTONIC DRUGS AND INHIBITORS OF NITRIC OXIDE SYNTHESIS TO ALLEVIATE PATHOLOGIC HYPOTENSION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-09-06 EP disclosed
EP-0669824-A4 USE OF CARDIOTONIC DRUGS AND INHIBITORS OF NITRIC OXIDE SYNTHESIS TO ALLEVIATE PATHOLOGIC HYPOTENSION. UNIV TEXAS (US) 1995-07-25 EP disclosed
WO-1993024122-A1 USE OF CARDIOTONIC DRUGS AND INHIBITORS OF NITRIC OXIDE SYNTHESIS TO ALLEVIATE PATHOLOGIC HYPOTENSION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-12-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240018230-A1 METHODS FOR TREATING OR MODULATING AN INFLAMMATORY RESPONSE IFNG, TNF, IL2 DDAH1 1785/4885NOS1 822/4885GRIN2D 4357/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.